| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:02 UTC |
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| Update Date | 2025-03-25 01:00:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244870 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20N2O5S |
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| Molecular Mass | 376.1093 |
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| SMILES | CN(C)CCc1c(-c2ccc(O)cc2)[nH]c2c(OS(=O)(=O)O)cccc12 |
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| InChI Key | MVWHRDUZQQIRDP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | arylsulfates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganooxygen compoundsorganopnictogen compoundspyrrolessulfuric acid monoesterstrialkylamines |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterindole1-hydroxy-2-unsubstituted benzenoidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfatetertiary amineorganoheterocyclic compoundazacycleheteroaromatic compoundtertiary aliphatic amineindole or derivativesorganic oxygen compoundpyrrolesulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esteramineorganooxygen compound |
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